CAS RN: 1247014-34-1
Volvalerenic acid A
Product Availability
Choose a grade to view its available package options.
5 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250519 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1247014-34-1
- Purity/Analytical Methods: >99.0%
1247014-34-1 / (1R,2Z,6E,10S)-7,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene-3-carboxylic acid
Basic Information
CAS
1247014-34-1
Multi CAS
No
Molecular Formula
C15H22O2
Molecular Weight
234.330000
Exact Mass
234.161980
SMILES
C/C/1=C\CC/C(=C/[C@@H]2[C@@H](C2(C)C)CC1)/C(=O)O
InChI
InChI=1S/C15H22O2/c1-10-5-4-6-11(14(16)17)9-13-12(8-7-10)15(13,2)3/h5,9,12-13H,4,6-8H2,1-3H3,(H,16,17)/b10-5+,11-9-/t12-,13+/m0/s1
InChIKey
BBGNZFMMXLMZRC-DXKAXRHTSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.7
TPSA
37.3
LogP / Solubility
WLOGP
3.79
MLOGP
3.34
XLogP3
3.5
Consensus LogP
3.54
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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